Molecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculations

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dc.contributor.authorZukerman-Schpector, Julio
dc.contributor.authorCaracelli, Ignez [UNESP]
dc.contributor.authorTeijido, Maurício Vega
dc.contributor.authorGarcía, Ariel L. L.
dc.contributor.authorCostenaro, Edson R.
dc.contributor.authorCorreia, Carlos Roque D.
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionUniversidade Estadual de Campinas (UNICAMP)
dc.date.accessioned2022-04-28T19:56:44Z
dc.date.available2022-04-28T19:56:44Z
dc.date.issued2005-03-18
dc.description.abstract(1), C18H26N2O7, Mr = 382.41, P212121, a = 9.7215(9), b = 10.687(1), c = 18.399(2) Å, V = 1911.6(3) Å3, Z = 4, R1 = 0.0395. (2), C12H18ClNO4, Mr = 275.72, P21, a = 10.431(1), b = 6.9223(8), c = 18.043(2) Å, β = 102.085(7)°, V = 1273.9(2) Å3, Z = 4, R1 = 0.0578. The five membered ring is in a twist conformation in (1) and in the two independent molecules of (2) in an envelope conformation. In both compounds the hydroxyl moieties are involved in hydrogen bonds. The compounds were studied by HF/6-31G** computations. © by Oldenbourg Wissenschaftsverlag, München.en
dc.description.affiliationLaboratório de Cristalografia Departamento de Química Universidade Federal de Sao Carlos, Cx. P. 676, 13565-905, São Carlos, SP
dc.description.affiliationBioMat-Departamento de Física Faculdade de Ciências UNESP Campus de Bauru
dc.description.affiliationInstituto de Química Universidade Estadual de Campinas, Campinas, SP
dc.description.affiliationUnespBioMat-Departamento de Física Faculdade de Ciências UNESP Campus de Bauru
dc.format.extent45-49
dc.identifierhttp://dx.doi.org/10.1524/zkri.220.1.45.58888
dc.identifier.citationZeitschrift fur Kristallographie, v. 220, n. 1, p. 45-49, 2005.
dc.identifier.doi10.1524/zkri.220.1.45.58888
dc.identifier.issn0044-2968
dc.identifier.scopus2-s2.0-14744286795
dc.identifier.urihttp://hdl.handle.net/11449/224494
dc.language.isoeng
dc.relation.ispartofZeitschrift fur Kristallographie
dc.sourceScopus
dc.subjectAzanucleosides
dc.subjectAzasugars
dc.subjectIminoribitol
dc.subjectSingle crystal structure analysis
dc.subjectTrypanosomiasis
dc.subjectX-ray diffraction
dc.titleMolecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculationsen
dc.typeArtigo
unesp.departmentFísica - FCpt

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